UCSF

ZINC65164655

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 29 Yes

Popular Name: 4-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carbonyl]benzonitrile 4-[4-[2-(1-ethylpyrrolo[2,3-b]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 10.75 -15.95 0 6 0 65 387.487 5 ↓
Mid Mid (pH 6-8) 2.05 12.95 -61.83 1 6 1 66 388.495 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.